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89186-82-3 | 1,2-Benzenedicarboxylic acid, 3-ethoxy-5-hydroxy-, dimethyl ester
CAS No: 89186-82-3 Catalog No: AG003VQJ MDL No:
Product Description
Catalog Number:
AG003VQJ
Chemical Name:
1,2-Benzenedicarboxylic acid, 3-ethoxy-5-hydroxy-, dimethyl ester
CAS Number:
89186-82-3
Molecular Formula:
C12H14O6
Molecular Weight:
254.2360
IUPAC Name:
dimethyl 3-ethoxy-5-hydroxybenzene-1,2-dicarboxylate
InChI:
InChI=1S/C12H14O6/c1-4-18-9-6-7(13)5-8(11(14)16-2)10(9)12(15)17-3/h5-6,13H,4H2,1-3H3
InChI Key:
BPLXKMFDHBPEAH-UHFFFAOYSA-N
SMILES:
CCOc1cc(O)cc(c1C(=O)OC)C(=O)OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.079g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.238g/mol
Monoisotopic Mass:
254.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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